(1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol

C8H17NO2S — CID 130795646

IUPAC(1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol
SMILESCC(C)S(=O)N1CCCC1CO
InChIInChI=1S/C8H17NO2S/c1-7(2)12(11)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyBNEDFKLPXKGHOW-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.52
Rot. Bonds3

About (1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol

(1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol (PubChem CID 130795646) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol
PubChem CID130795646
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol
SMILESCC(C)S(=O)N1CCCC1CO
InChIInChI=1S/C8H17NO2S/c1-7(2)12(11)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKeyBNEDFKLPXKGHOW-UHFFFAOYSA-N
XLogP0.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol (CID 130795646) is (1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol is CC(C)S(=O)N1CCCC1CO.
What is the InChIKey of (1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol?
The InChIKey is BNEDFKLPXKGHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)12(11)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of (1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol?
(1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol has a molecular weight of 191.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylsulfinylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 130795646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).